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{
"id": "mp-1223307",
"created_at": "2022-09-04T14:42:24.966794Z",
"structure_string": "K1 Rb1 Cl2\n1.0\n5.551771 0.000000 0.000000\n0.000000 5.551771 0.000000\n0.000000 0.000000 3.925892\nK Rb Cl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
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{
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{
"id": "mp-1094769",
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"volume": 120.98675751076905,
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"formula_full": "Y3 Mg1",
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"updated_at": "2021-11-28T01:37:39.672000Z",
"spacegroup": 221
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{
"id": "mp-978844",
"created_at": "2022-09-04T14:42:15.184429Z",
"structure_string": "Sr1 Ca3 O4\n1.0\n4.945903 0.000000 0.000000\n0.000000 4.945903 0.000000\n0.000000 0.000000 4.945903\nSr Ca O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
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"elements": [
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"O"
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"chemical_system": "Ca-O-Sr",
"density": 3.731162869927697,
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"volume": 120.98646396705387,
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"formula_full": "Sr1 Ca3 O4",
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"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:35:42Z",
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},
{
"id": "mp-1184431",
"created_at": "2022-09-04T14:43:04.594937Z",
"structure_string": "Gd3 Dy1\n1.0\n4.945776 0.000000 0.000000\n0.000000 4.945776 0.000000\n0.000000 0.000000 4.945776\nGd Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"elements": [
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"density": 8.705751073456025,
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"volume": 120.97714420094827,
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"formula_full": "Gd3 Dy1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:02.463000Z",
"spacegroup": 221
},
{
"id": "mp-1094672",
"created_at": "2022-09-04T14:40:17.104117Z",
"structure_string": "Mg3 Ga3\n1.0\n1.592470 -7.559466 0.000000\n1.592470 7.559466 0.000000\n0.000000 0.000000 5.024098\nMg Ga\n3 3\ndirect\n0.989612 0.010388 0.000000 Mg\n0.675701 0.324299 0.000000 Mg\n0.110865 0.889135 0.500000 Mg\n0.331041 0.668959 0.000000 Ga\n0.441925 0.558075 0.500000 Ga\n0.784189 0.215811 0.500000 Ga\n",
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"density": 3.8723720373619095,
"density_atomic": 0.04960218124843724,
"volume": 120.96242239728188,
"volume_molar": 12.14087890578347,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
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"updated_at": "2021-11-28T01:34:59.741000Z",
"spacegroup": 38
},
{
"id": "mp-1220080",
"created_at": "2022-09-04T14:47:35.705184Z",
"structure_string": "Ni2 Ge4 Pd2\n1.0\n0.000000 -3.558695 0.000000\n-5.590447 0.000000 0.000000\n0.000000 0.000000 -6.079980\nNi Ge Pd\n2 4 2\ndirect\n0.750000 0.493412 0.694993 Ni\n0.750000 0.993412 0.805007 Ni\n0.750000 0.316041 0.064271 Ge\n0.750000 0.816041 0.435729 Ge\n0.250000 0.688990 0.894372 Ge\n0.250000 0.188990 0.605628 Ge\n0.250000 0.501558 0.316679 Pd\n0.250000 0.001558 0.183321 Pd\n",
"nsites": 8,
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"elements": [
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"Ge",
"Pd"
],
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"density": 8.522207768293743,
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"volume": 120.95935248900747,
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"formula_full": "Ni2 Ge4 Pd2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:13.274000Z",
"spacegroup": 26
},
{
"id": "mp-1184679",
"created_at": "2022-09-04T14:39:15.157247Z",
"structure_string": "Hg1 Bi3\n1.0\n-2.554213 2.554213 4.635044\n2.554213 -2.554213 4.635044\n2.554213 2.554213 -4.635044\nHg Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"density": 11.360708059231724,
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"volume": 120.95618330001393,
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"formula_full": "Hg1 Bi3",
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"updated_at": "2021-11-28T01:34:31.121000Z",
"spacegroup": 139
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{
"id": "mp-1185085",
"created_at": "2022-09-04T14:47:59.398158Z",
"structure_string": "La3 Zn1\n1.0\n-2.437615 2.437615 5.088724\n2.437615 -2.437615 5.088724\n2.437615 2.437615 -5.088724\nLa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"density": 6.619268585939723,
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"updated_at": "2021-11-28T01:38:26.307000Z",
"spacegroup": 139
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{
"id": "mp-1217724",
"created_at": "2022-09-04T14:39:18.211291Z",
"structure_string": "Tb2 Ga3 Fe1\n1.0\n-2.149164 -3.723972 0.000000\n-2.149164 3.723972 0.000000\n0.000000 0.000000 -7.555527\nTb Ga Fe\n2 3 1\ndirect\n0.999998 0.000002 0.482711 Tb\n0.999998 0.000002 0.017289 Tb\n0.666646 0.333354 0.750000 Ga\n0.333345 0.666655 0.250000 Ga\n0.333363 0.666637 0.750000 Ga\n0.666650 0.333350 0.250000 Fe\n",
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{
"id": "mp-1025205",
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"structure_string": "Y2 Re2 Si2 C1\n1.0\n2.003903 5.474641 0.000000\n-2.003903 5.474641 0.000000\n0.000000 4.232525 5.511956\nY Re Si C\n2 2 2 1\ndirect\n0.427406 0.427406 0.300397 Y\n0.572594 0.572594 0.699603 Y\n0.792653 0.792653 0.092461 Re\n0.207347 0.207347 0.907539 Re\n0.857627 0.857627 0.682592 Si\n0.142373 0.142373 0.317408 Si\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Y2 Re2 Si2 C1",
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{
"id": "mp-976863",
"created_at": "2022-09-04T14:45:27.499766Z",
"structure_string": "Na1 Tm3\n1.0\n0.000000 3.924931 3.924931\n3.924931 0.000000 3.924931\n3.924931 3.924931 0.000000\nNa Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n",
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"updated_at": "2021-11-28T01:36:58.317000Z",
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}
]
}